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Diethyl 4,4'-(ethane-1,2-diyldi-oxy)dibenzoate.

ABSTRACT: The title compound, C(20)H(22)O(6), was obtained by the reaction of ethyl 4-hy-droxy-benzoate with 1,2-dichloro-ethane in dimethyl-formamide. The mol-ecule lies around the crystallographic inversion center at (0,0,0), with the asymmetric unit consisting of one half of the mol-ecule. The two ethyl groups are in trans positions. The ethyl, carboxyl, aryl and O-CH(2) groups are coplanar with an r.m.s. deviation of 0.0208 (9) Å. The whole mol-ecule is planar with an r.m.s. deviation of 0.0238 (9) Å for the 19 atoms used in the calculation and 0.0071 (9) Å for the two aryl groups in the mol-ecule. A weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action help to consolidate the three-dimensional network.

SUBMITTER: Ma Z

PROVIDER: S-EPMC3151924 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl 2,2'-(ethane-1,2-diyldi-oxy)di-benzo-ate.

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Poly[[?(10)-4,4'-(ethane-1,2-diyldi-oxy)dibenzoato]dipotassium].

Project description:The title salt, [K(2)(C(16)H(12)O(6))](n), was obtained by the reaction of 1,2-bis-[4-(ethyl-carbox-yl)-phenox-yl]ethane with KOH in water. The anion lies on a crystallographic inversion center, which is located at the mid-point of the central C-C bond. The K(+) cation is coordinated by six O atoms, two from the chelating carboxyl-ate group of the anion and four from four neighboring and monodentately binding anions, giving rise to an irregular [KO(6)] coordination polyhedron. The coordination mode of the cation leads to the formation of K/O layers parallel to (100). These layers are linked by the nearly coplanar anions (r.m.s. deviation of 0.064?Å of the carboxyl, aryl and O-CH(2) groups from the least-squares plane) into a three-dimentional network.

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Project description:In the title complex, [Ni(C(20)H(22)N(2)O(4))]·0.5H(2)O, the Ni(II) ion is in a slightly distorted square-planar geometry involving an N(2)O(2) atom set of the tetra-dentate Schiff base ligand. The asymmetric unit contains one mol-ecule of the complex and half a water solvent mol-ecule. The solvent water mol-ecule lies on a crystallographic twofold rotation axis. An inter-molecular O-H⋯O hydrogen bond forms an R(2) (1)(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex. In the crystal structure, mol-ecules are linked by π-π stacking inter-actions, with centroid-centroid distances in the range 3.5310 (11)-3.7905 (12) Å, forming extended chains along the b axis. In addition, there are Ni⋯Ni and Ni⋯N inter-actions [3.4404 (4)-4.1588 (4) and 3.383 (2)-3.756 (2) Å, respectively] which are shorter than the sum of the van der Waals radii of the relevant atoms. Further stabilization of the crystal structure is attained by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

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Project description:In the title compound, [Ni(H(2)O)(6)](C(16)H(12)O(6))·H(2)O, the Ni(II) cation is located on a mirror plane and is coordinated by six water mol-ecules, two of which are also located on the mirror plane, in a distorted octa-hedral geometry. The 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate anion is centrosymmetric with the mid-point of the central ethane C-C bond located on an inversion center. The uncoordinated water mol-ecule is located on a mirror plane. Extensive O-H?O hydrogen bonding is present in the crystal structure.

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Hexaaqua-zinc(II) 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate monohydrate.

Project description:The title compound, [Zn(H(2)O)(6)](C(16)H(12)O(6))·H(2)O, consists of one 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate anion lying on an inversion centre, one [Zn(H(2)O)(6)](2+) dication lying on a mirror plane and one solvent water mol-ecule located on a mirror plane. The octahedral [Zn(H(2)O)(6)](2+) cations, solvent water mol-ecules and anions inter-act via O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3007234 | biostudies-literature

Hexaaqua-manganese(II) 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate monohydrate.

Project description:In the title compound, [Mn(H(2)O)(6)](C(16)H(12)O(6))·H(2)O, the [Mn(H(2)O)(6)](2+) complex cation lies on a mirror plane, the 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate anion is located on an inversion center and the solvent water mol-ecule also lies on a mirror plane. Extensive O-H?O hydrogen-bonding inter-actions between the cations, anions and water mol-ecules stabilize the three-dimensional network.

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Hexaaqua-cobalt(II) 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate monohydrate.

Project description:The title compound, [Co(H(2)O)(6)](C(16)H(12)O(6))·H(2)O, is composed of one 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate anion lying on an inversion center, one [Co(H(2)O)(6)](2+) dicationic complex and a solvent water mol-ecule located on mirror planes. In the crystal, a chain is constructed via O-H⋯O hydrogen bonds involving the carboxyl-ate and hydroxyl groups of the organic anion; the chains are further connected into a three-dimensional framework by additional O-H⋯O hydrogen bonds between the [Co(H(2)O)(6)](2+) cations, solvent water mol-ecules and the anions.

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Project description:The complete molecule of the title compound, C(18)H(24)N(2)O(2), is generated by a crystallographic inversion centre. The torsion angles in the hexa-methyl-ene chain are consistent with an anti-periplanar conformation, whereas the conformation of the O-CH(2)-CH(2)-CH(2) unit is gauche. The three-dimensional crystal packing is stabilized by N-H⋯O and N-H⋯N hydrogen bonding.

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